NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3749 8.3049 120.2650 55.1178 33.9036 174.6411 2 L 4.1882 8.6246 122.0383 53.8093 43.8673 172.9978 3 E 5.2289 8.6752 117.1997 55.3692 33.6363 173.3417 4 G 4.2558 9.4096 111.5581 44.4702 0.0000 170.5640 5 K 5.1274 8.9734 120.6370 54.2262 36.0664 176.8155 6 V 3.8047 8.8070 127.7353 63.2099 31.7175 176.3450 7 K 4.2577 8.9450 131.3769 59.0034 32.8390 177.1274 8 W 4.8681 7.7739 112.9811 56.1219 30.8311 173.5847 9 F 4.8863 9.0687 123.7940 56.0125 41.8272 174.2421 10 N 4.6199 8.2833 127.0321 52.5240 38.2316 175.3041 11 S 4.3629 8.6177 122.3197 60.7422 62.6520 175.2004 12 E 4.2222 8.1185 120.3171 59.3948 29.6725 178.6195 13 K 4.2781 8.2049 117.3156 57.3233 32.3009 178.1254 14 G 4.0525 9.6329 107.2836 45.2926 0.0000 172.4684 15 F 4.5698 6.0450 112.9072 54.8931 41.2355 173.0180 16 G 3.5338 6.7975 105.3382 45.5360 0.0000 171.8716 17 F 4.6412 6.9951 116.7462 55.5074 43.0961 174.3559 18 I 4.7558 8.4458 122.6809 59.6352 39.9658 174.0616 19 E 5.1254 9.2398 126.8223 54.5306 31.7552 175.0781 20 V 4.9419 8.3795 127.4445 60.6734 34.7746 175.2242 21 E 4.1669 9.0011 119.8351 56.5615 30.7522 175.4145 22 G 3.7715 9.3187 111.4754 45.0048 0.0000 171.8549 23 Q 4.4421 7.4161 114.7800 55.8820 32.7975 173.1188 24 D 4.8984 8.3891 119.4305 52.8310 43.0215 175.9978 25 D 4.8076 8.5270 119.5488 54.9949 41.7330 176.4267 26 V 4.3717 8.8327 123.1533 60.9876 33.3716 174.9545 27 F 3.4221 8.7969 130.7340 58.0768 40.7425 173.9702 28 V 4.3766 7.0643 124.2452 60.0532 34.5558 173.7484 29 H 5.0944 8.4310 123.4520 53.7518 32.7637 174.6515 30 F 4.2515 8.4054 118.7325 59.7603 37.6519 177.3325 31 S 4.2778 6.9986 113.7759 59.7445 63.1926 174.5291 32 A 4.2626 8.0140 124.3877 53.3204 19.0448 177.2363 33 I 4.2791 7.3417 117.8984 61.2733 37.4563 176.0177 34 Q 4.2848 8.6182 125.4411 55.6775 29.8551 174.2785 35 G 3.6588 8.4842 107.3293 45.0497 0.0000 173.3317 36 E 4.6245 8.7233 113.7418 54.6848 32.9138 171.5446 37 G 3.9147 8.5958 105.2385 44.3192 0.0000 172.7677 38 F 4.0462 8.4739 120.7230 58.0429 39.5478 174.7758 39 K 3.9971 7.6605 127.8934 56.3429 31.8515 175.8990 40 T 4.3497 7.7478 116.8582 61.5288 70.2180 171.9031 41 L 4.3937 7.0840 121.9931 53.1810 45.8630 175.4160 42 E 4.6629 8.2304 120.7352 54.2388 31.4773 175.6514 43 E 4.3219 8.5231 122.7477 57.7852 30.2804 176.5092 44 G 4.0861 9.2276 114.3404 45.3091 0.0000 173.9087 45 Q 4.1497 7.7430 120.4131 56.2276 30.2679 175.1765 46 A 5.0821 8.5045 126.8837 51.2577 20.9269 176.5226 47 V 4.8737 8.7404 113.7133 59.9494 36.9558 174.2729 48 S 5.5060 8.6724 119.3487 57.0832 65.3686 173.4777 49 F 5.1990 8.9874 118.2135 56.2905 41.8988 172.4366 50 E 4.7960 9.1292 117.4109 54.5150 33.2660 175.3421 51 I 4.9000 8.1389 122.2321 59.7682 39.2333 175.1624 52 V 4.4103 8.6926 127.2456 60.9105 34.0758 173.7171 53 E 4.9013 8.9510 128.2817 54.2759 31.1910 174.7159 54 G 4.2627 8.5927 117.7956 45.6160 0.0000 173.8825 55 N 4.5897 8.7161 118.9208 53.8947 38.0383 176.2256 56 R 4.0109 7.7746 116.9680 56.4839 30.5789 176.1274 57 G 3.8860 7.5133 103.4224 43.3235 0.0000 171.2304 58 P 4.8562 0.0000 0.0000 62.7964 32.1421 175.7772 59 Q 4.8866 8.8535 119.4094 54.6225 32.5509 173.7254 60 A 5.0424 8.6934 122.0241 52.1190 19.4902 176.8815 61 A 4.6022 9.2044 121.0343 50.3933 23.3141 175.6783 62 N 4.3195 8.7048 113.9837 54.2855 36.3120 175.6600 63 V 4.0291 7.9098 118.3871 63.4136 33.0355 175.1642 64 T 4.8592 8.6673 124.7613 61.5517 71.7559 173.9641 65 K 4.0659 8.8189 127.7804 56.9666 32.1090 176.8916 66 E 4.6229 8.2358 125.3087 55.1741 32.5008 173.8931 67 A 4.2005 8.1900 118.5701 54.3661 19.4480 176.1993 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.37 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 2 L 8.62 4.19 0.00 0.47 1.24 0.49 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 3 E 8.68 5.23 0.00 1.69 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.85 0.00 4 G 9.41 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.97 5.13 0.00 1.77 1.62 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.57 1.37 7.81 6 V 8.81 3.80 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.82 0.00 0.00 7 K 8.94 4.26 0.00 1.90 2.04 0.00 2.16 0.00 0.00 1.86 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.77 1.56 7.81 8 W 7.77 4.87 0.00 3.35 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 9.07 4.89 0.00 2.85 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.28 4.62 0.00 2.74 2.10 0.00 0.00 6.43 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.62 4.36 0.00 4.11 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.12 4.22 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 13 K 8.20 4.28 0.00 1.34 2.05 0.00 1.94 0.00 0.00 1.81 0.00 0.00 3.16 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.55 1.62 7.81 14 G 9.63 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 6.04 4.57 0.00 2.71 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 6.80 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 7.00 4.64 0.00 2.65 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.45 4.76 1.36 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.29 0.42 0.00 0.00 19 E 9.24 5.13 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 20 V 8.38 4.94 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.01 0.00 0.00 21 E 9.00 4.17 0.00 2.01 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.87 0.00 22 G 9.32 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 7.42 4.44 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.74 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 24 D 8.39 4.90 0.00 2.74 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.53 4.81 0.00 2.73 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.83 4.37 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.26 0.00 0.00 27 F 8.80 3.42 0.00 2.91 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.06 4.38 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.82 0.00 0.00 29 H 8.43 5.09 0.00 3.21 3.05 0.00 5.68 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.41 4.25 0.00 3.19 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.00 4.28 0.00 3.93 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.01 4.26 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.34 4.28 1.96 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.53 0.83 0.00 0.00 34 Q 8.62 4.28 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.00 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 35 G 8.48 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.72 4.62 0.00 1.96 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.83 0.00 37 G 8.60 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 F 8.47 4.05 0.00 2.96 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 7.66 4.00 0.00 1.56 1.69 0.00 1.97 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.43 7.81 40 T 7.75 4.35 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 41 L 7.08 4.39 0.00 0.62 1.10 0.46 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.23 4.66 0.00 1.96 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.19 0.00 43 E 8.52 4.32 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 44 G 9.23 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 7.74 4.15 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 46 A 8.50 5.08 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.74 4.87 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.83 0.00 0.00 48 S 8.67 5.51 0.00 3.83 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.99 5.20 0.00 3.22 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 9.13 4.80 0.00 1.91 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 51 I 8.14 4.90 1.86 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.59 0.96 0.00 0.00 52 V 8.69 4.41 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.94 0.00 0.00 53 E 8.95 4.90 0.00 1.98 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.37 0.00 54 G 8.59 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 N 8.72 4.59 0.00 2.82 2.93 0.00 0.00 5.88 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.77 4.01 0.00 1.77 1.93 0.00 3.10 0.00 0.00 3.14 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 57 G 7.51 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.86 0.00 2.15 2.09 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 59 Q 8.85 4.89 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.02 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 60 A 8.69 5.04 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 9.20 4.60 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 N 8.70 4.32 0.00 2.89 2.90 0.00 0.00 6.91 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.91 4.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.89 0.00 0.00 64 T 8.67 4.86 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 65 K 8.82 4.07 0.00 1.61 1.76 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.37 7.81 66 E 8.24 4.62 0.00 1.70 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.13 0.00 67 A 8.19 4.20 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00